N-[(3-fluorophenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide

C21H22FN3O3S — CID 20918823

IUPACN-[(3-fluorophenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide
SMILESO=C(Cn1ccc2cc(S(=O)(=O)N3CCCC3)ccc21)NCc1cccc(F)c1
InChIInChI=1S/C21H22FN3O3S/c22-18-5-3-4-16(12-18)14-23-21(26)15-24-11-8-17-13-19(6-7-20(17)24)29(27,28)25-9-1-2-10-25/h3-8,11-13H,1-2,9-10,14-15H2,(H,23,26)
InChIKeyXSIVFPIQPDJQQU-UHFFFAOYSA-N
MW415.49 g/mol
LogP2.88
Rot. Bonds6

About N-[(3-fluorophenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide

N-[(3-fluorophenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide (PubChem CID 20918823) has the molecular formula C21H22FN3O3S and a molecular weight of 415.49 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide
PubChem CID20918823
Molecular FormulaC21H22FN3O3S
Molecular Weight415.49 g/mol
Exact Mass415.14
IUPAC NameN-[(3-fluorophenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide
SMILESO=C(Cn1ccc2cc(S(=O)(=O)N3CCCC3)ccc21)NCc1cccc(F)c1
InChIInChI=1S/C21H22FN3O3S/c22-18-5-3-4-16(12-18)14-23-21(26)15-24-11-8-17-13-19(6-7-20(17)24)29(27,28)25-9-1-2-10-25/h3-8,11-13H,1-2,9-10,14-15H2,(H,23,26)
InChIKeyXSIVFPIQPDJQQU-UHFFFAOYSA-N
XLogP2.88
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide (CID 20918823) is N-[(3-fluorophenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide is O=C(Cn1ccc2cc(S(=O)(=O)N3CCCC3)ccc21)NCc1cccc(F)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide?
The InChIKey is XSIVFPIQPDJQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O3S/c22-18-5-3-4-16(12-18)14-23-21(26)15-24-11-8-17-13-19(6-7-20(17)24)29(27,28)25-9-1-2-10-25/h3-8,11-13H,1-2,9-10,14-15H2,(H,23,26).
What are the key properties of N-[(3-fluorophenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide?
N-[(3-fluorophenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide has a molecular weight of 415.49 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide is sourced from PubChem (CID 20918823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).